Synthesis and crystal structure of Zr{sub 2}Te. Distinctions in bonding to isotypic Sc{sub 2}Te and the relationship to the structures of congeneric Hf{sub 2}Te and Zr{sub 2}Se

Journal Article · Mon Jul 12 04:00:00 EDT 1999 · Inorganic Chemistry

DOI:https://doi.org/10.1021/ic990024a· OSTI ID:677947

Oerlygsson, G; Harbrecht, B ^[1]

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1. Philipps Univ., Marburg (Germany)

Zr{sub 2}Te is accessible by high-temperature synthesis. The structure of the zirconium-rich telluride was determined by means of powder X-ray diffraction to be orthorhombic, Pnma (No. 61), Z = 12, Pearson symbol oP36, a = 1995.0(2) pm, b = 382.36(2) pm, c = 1065.63(9) pm. Pairwise interpenetrating columns of trans-face-shared, centered Zr{sub 9} cuboids, reminiscent of the bcc high-temperature form of zirconium can be recognized as the topologically characteristic structural feature. Tellurium atoms capping the remaining square faces complete the motif of a {sub {infinity}}{sup 1}[Zr{sub 8}Te{sub 4}] double string running parallel [010]. The tellurium atoms are 7-, 8- and 9-fold coordinated by zirconium. The coordination figures represent mono-, bi- and tricapped distorted trigonal prisms, with zirconium atoms capping the square faces of the prisms. Extended Hueckel calculations revealed distinctions in bonding in Zr{sub 2}Te and the isotypic Sc{sub 2}Te. According to Mulliken overlap populations, the heteronuclear interactions are similar in both tellurides. However, the lower valence electron concentration available for M-M bonding in Sc{sub 2}Te is reflected in a considerable restriction of the attractive homonuclear interactions to one-dimensional metal cores, whereas in Zr{sub 2}Te M-M bonding regions extend in space. The structure of Zr{sub 2}Te is contrasted with two other types of bcc fragment structures adopted by the congeneric Hf{sub 2}Te and Zr{sub 2}Se. The authors show that the structural diversity observed for various dimetal chalcogenides is controlled by an intimate interplay of electronic and geometric factors.

• OSTI ID: 677947
• Journal Information: Inorganic Chemistry, Journal Name: Inorganic Chemistry Journal Issue: 14 Vol. 38; ISSN 0020-1669; ISSN INOCAJ
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CHEMICAL BONDS
CRYSTAL STRUCTURE
LATTICE PARAMETERS
SYNTHESIS
X-RAY DIFFRACTION
ZIRCONIUM TELLURIDES